2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid

C12H9NO3S — CID 66731461

IUPAC2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
SMILESCc1csc(C(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H9NO3S/c1-7-6-17-11(13-7)10(14)8-4-2-3-5-9(8)12(15)16/h2-6H,1H3,(H,15,16)
InChIKeyUTKNFGINOQEBQB-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.38
Rot. Bonds3

About 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid

2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid (PubChem CID 66731461) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
PubChem CID66731461
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
SMILESCc1csc(C(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H9NO3S/c1-7-6-17-11(13-7)10(14)8-4-2-3-5-9(8)12(15)16/h2-6H,1H3,(H,15,16)
InChIKeyUTKNFGINOQEBQB-UHFFFAOYSA-N
XLogP2.38
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzoic acid
CID 55100048
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
phthalic acid;toluene
CID 174855044
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
4,6-dimethylpyrimidin-2-amine;phthalic acid
CID 68723987
naphthalene;phthalic acid
CID 158069637
phthalic acid;silicic acid
CID 159320374
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid (CID 66731461) is 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid is Cc1csc(C(=O)c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid?
The InChIKey is UTKNFGINOQEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c1-7-6-17-11(13-7)10(14)8-4-2-3-5-9(8)12(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid?
2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid has a molecular weight of 247.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid is sourced from PubChem (CID 66731461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).